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CAS Number: 92136-39-5
tert-butyl prop-2-yn-1-ylcarbamate

Structure

tert-butyl prop-2-yn-1-ylcarbamate
Name: tert-butyl prop-2-yn-1-ylcarbamate
Synonyms:
General Information
Product Number: 92136395

CAS Registry Number 92136-39-5
Name:
Carbamic acid, N-?2-?propyn-?1-?yl-?, 1,?1-?dimethylethyl ester
Carbamic acid, 2-propynyl-, 1,1-dimethylethyl ester (9CI)
1,1-Dimethylethyl 2-propyn-1-ylcarbamate
2-Propynylcarbamic acid tert-butyl ester
3-(tert-Butoxycarbonylamino)prop-1-yne
3-[(tert-Butyloxycarbonyl)amino]-1-propyne

 

Chemical Formula: C8H13NO2
Exact Mass: 155.09
Molecular Weight: 155.19
m/z: 155.09 (100.0%), 156.10 (8.9%)

 

InChI:InChI=1S/C8H13NO2/c1-5-6-9-7(10)11-8(2,3)4/h1H,6H2,2-4H3,(H,9,10)

InChI Key:DSPYCWLYGXGJNJ-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)NCC#C

 

Thermal Properties Value Condition Note
Melting Point 42 °C   (1)CAS
Melting Point 42 °C   (2)CAS
Melting Point 41-42 °C   (3)CAS
Melting Point 40-42 °C   (7)CAS
Melting Point 39-40 °C   (6)CAS
Melting Point 34-36 °C   (8)IC

Specification

98%

References
  1. (1) Paul, Andreas; Tetrahedron 2009, V65(31), P6156-6168 CAPLUS
  2. (2) Huestis, Malcolm P.; Angewandte Chemie, International Edition 2011, V50(6), P1338-1341, S1338/1-S1338/146 CAPLUS
  3. (3) Molander, Gary A.; Tetrahedron Letters 2011, V52(17), P2199-2202 CAPLUS
  4. (6) Denton, Travis T.; Journal of Medicinal Chemistry 2005, V48(1), P224-239 CAPLUS
  5. (7) Wu, Jing; Journal of Organic Chemistry 2007, V72(8), P2897-2905 CAPLUS
  6. (8) Jackson, W. Roy; Australian Journal of Chemistry 1988, V41(8), P1201-8 CAPLUS
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